[2-[[4-(5-phenylpentoxy)phenyl]methylamino]propanoylamino]methanesulfonic acid

Systemtic Name: [2-[[4-(5-phenylpentoxy)phenyl]methylamino]propanoylamino]methanesulfonic acid Openeye Name: [2-[[4-(5-phenylpentoxy)phenyl]methylamino]propanoylamino]methanesulfonic acid CAS Name: [[1-oxo-2-[[4-(5-phenylpentoxy)phenyl]methylamino]propyl]amino]methanesulfonic acid IUPAC Name: [2-[[4-(5-phenylpentoxy)phenyl]methylamino]propanoylamino]methanesulfonic acid Traditional Name: [2-[[4-(5-phenylpentoxy)benzyl]amino]propanoylamino]methanesulfonic acid Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCS(=O)(=O)O)NCC1=CC=C(C=C1)OCCCCCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NCS(=O)(=O)O)NCC1=CC=C(C=C1)OCCCCCC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O5S/c1-18(22(25)24-17-30(26,27)28)23-16-20-11-13-21(14-12-20)29-15-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,18,23H,3,6-7,10,15-17H2,1H3,(H,24,25)(H,26,27,28)